EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H40O9 |
| Net Charge | 0 |
| Average Mass | 568.663 |
| Monoisotopic Mass | 568.26723 |
| SMILES | [H][C@]12CC[C@]3(C)C(=C1C[C@]1(O)C(=O)[C@@]2(C)[C@@H](CC(=O)OC)C(C)(C)[C@@H]1OC(=O)/C(C)=C/C)CC(=O)O[C@H]3c1ccoc1 |
| InChI | InChI=1S/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,16,20,22,25,28,37H,9,11,13-15H2,1-7H3/b17-8+/t20-,22-,25-,28-,30+,31+,32-/m0/s1 |
| InChIKey | CSGNJWXBCURRAQ-YEEVHOMBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichilia connaroides (IPNI:579388-1) | leaf (BTO:0000713) | PubMed (21268637) | Methanolic extract of air-dried, powdered leaves |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| delta(8,14)-2-hydroxy-6-deoxyswietenine (CHEBI:68372) has role metabolite (CHEBI:25212) |
| delta(8,14)-2-hydroxy-6-deoxyswietenine (CHEBI:68372) is a limonoid (CHEBI:39434) |
| Citations |
|---|